N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine

C14H21NO — CID 115887352

IUPACN-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine
SMILESCCC(C)CNC1COc2ccccc2C1
InChIInChI=1S/C14H21NO/c1-3-11(2)9-15-13-8-12-6-4-5-7-14(12)16-10-13/h4-7,11,13,15H,3,8-10H2,1-2H3
InChIKeyHZEJOTXKRXGEPW-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.63
Rot. Bonds4

About N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine

N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine (PubChem CID 115887352) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine
PubChem CID115887352
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine
SMILESCCC(C)CNC1COc2ccccc2C1
InChIInChI=1S/C14H21NO/c1-3-11(2)9-15-13-8-12-6-4-5-7-14(12)16-10-13/h4-7,11,13,15H,3,8-10H2,1-2H3
InChIKeyHZEJOTXKRXGEPW-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 25308320
N-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45221354
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
2-[[(3S)-3,4-dihydro-2H-chromen-3-yl]amino]ethanol
CID 155711300
N-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 126985805
N-(3,4-dihydro-2H-chromen-3-yl)propane-1-sulfonamide
CID 53006074
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-methylbutanamide
CID 94466633
1-(3,4-dihydro-2H-chromen-3-yl)-2-methylbutan-1-ol
CID 79446324
N-[(5-methylpyrazolidin-3-yl)methyl]-3,4-dihydro-2H-chromen-3-amine
CID 74567618
N-[4-(2,3-dihydro-1-benzofuran-2-yl)-2-methylbutyl]cyclopropanamine
CID 66364052
2-amino-N-(3,4-dihydro-2H-chromen-3-yl)pentanamide;hydrochloride
CID 119295204
3-pentan-2-yl-3,4-dihydro-2H-chromene
CID 139513640

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine?
The IUPAC name of N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine (CID 115887352) is N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine.
What is the SMILES notation for N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine?
The canonical SMILES for N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine is CCC(C)CNC1COc2ccccc2C1.
What is the InChIKey of N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine?
The InChIKey is HZEJOTXKRXGEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-11(2)9-15-13-8-12-6-4-5-7-14(12)16-10-13/h4-7,11,13,15H,3,8-10H2,1-2H3.
What are the key properties of N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine?
N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-3,4-dihydro-2H-chromen-3-amine is sourced from PubChem (CID 115887352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).